N-chloro-2-phenylethanamine

C8H10ClN — CID 18184165

IUPACN-chloro-2-phenylethanamine
SMILESClNCCc1ccccc1
InChIInChI=1S/C8H10ClN/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyPIWRNJHNOGWIMX-UHFFFAOYSA-N
MW155.63 g/mol
LogP1.97
Rot. Bonds3

About N-chloro-2-phenylethanamine

N-chloro-2-phenylethanamine (PubChem CID 18184165) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is N-chloro-2-phenylethanamine.

Molecular Properties

Compound NameN-chloro-2-phenylethanamine
PubChem CID18184165
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC NameN-chloro-2-phenylethanamine
SMILESClNCCc1ccccc1
InChIInChI=1S/C8H10ClN/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyPIWRNJHNOGWIMX-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-chloro-2-(3-phenylphenyl)ethanamine
CID 88912569
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
1-(2-phenylethyl)-2-(3-phenylpropyl)hydrazine
CID 56631422
N-alumanyl-2-phenylethanamine
CID 173457545
4-phenylbutylbenzene
CID 141301927
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
benzene;2-phenylethylbenzene
CID 18982764
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-phenylethanamine?
The IUPAC name of N-chloro-2-phenylethanamine (CID 18184165) is N-chloro-2-phenylethanamine.
What is the SMILES notation for N-chloro-2-phenylethanamine?
The canonical SMILES for N-chloro-2-phenylethanamine is ClNCCc1ccccc1.
What is the InChIKey of N-chloro-2-phenylethanamine?
The InChIKey is PIWRNJHNOGWIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-chloro-2-phenylethanamine?
N-chloro-2-phenylethanamine has a molecular weight of 155.63 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-phenylethanamine is sourced from PubChem (CID 18184165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).